(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride

C17H23ClN4O2 — CID 163333725

IUPAC(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1cc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)[nH]n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-11-14-9-13(20-21-14)10-18-17(22)16-8-7-15(19-16)12-5-3-2-4-6-12;/h2-6,9,15-16,19H,7-8,10-11H2,1H3,(H,18,22)(H,20,21);1H/t15-,16-;/m1./s1
InChIKeyQAVKYEXEBOWXQB-QNBGGDODSA-N
MW350.85 g/mol
LogP2.09
Rot. Bonds6

About (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride

(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 163333725) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID163333725
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCOCc1cc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)[nH]n1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-11-14-9-13(20-21-14)10-18-17(22)16-8-7-15(19-16)12-5-3-2-4-6-12;/h2-6,9,15-16,19H,7-8,10-11H2,1H3,(H,18,22)(H,20,21);1H/t15-,16-;/m1./s1
InChIKeyQAVKYEXEBOWXQB-QNBGGDODSA-N
XLogP2.09
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 163333725) is (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride is COCc1cc(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)[nH]n1.Cl.
What is the InChIKey of (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QAVKYEXEBOWXQB-QNBGGDODSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-23-11-14-9-13(20-21-14)10-18-17(22)16-8-7-15(19-16)12-5-3-2-4-6-12;/h2-6,9,15-16,19H,7-8,10-11H2,1H3,(H,18,22)(H,20,21);1H/t15-,16-;/m1./s1.
What are the key properties of (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride?
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 163333725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).